SCHEMBL18433366

SCHEMBL18433366

CN(C(=O)CC1CCOCC1)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
CNR2 P34972 6/20 0.33
PIK3CD O00329 2/20 0.33
CNR1 P21554 4/20 0.33
MAPK1 P28482 3/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
LIPA P38571 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18433460 0.90 PARP1 (0.34) KDM4ECNR2
SCHEMBL12544225 0.86 KDM4E (0.33) KDM4ECNR2PIK3CDCNR1CHRM2
SCHEMBL12566334 0.85 MAPK1 (0.33) KDM4ECNR2PIK3CDCNR1MAPK1
SCHEMBL18433368 0.85 PIK3CD (0.37) KDM4ECNR2PIK3CDCNR1
SCHEMBL20683255 0.81 PIK3CD (0.37) KDM4EPIK3CDTNKS2
SCHEMBL13227035 0.77 NCF1 (0.38) KDM4E
SCHEMBL12543521 0.77 PARP1 (0.33) KDM4E
SCHEMBL5986834 0.76 KDM4E (0.40) KDM4EPIK3CDTNKS2
SCHEMBL9278642 0.75 KDM4E (0.34) KDM4ECNR2PIK3CDCNR1CHRM2
SCHEMBL13727465 0.75 LIPA (0.42) CNR2PIK3CDCNR1TNKS2LIPA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2716635-B1 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INT (DE) 2017-02-01 EP disclosed